3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one

C16H13ClFN3O — CID 166392137

IUPAC3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(F)ccc2cc1CNCc1ccncc1Cl
InChIInChI=1S/C16H13ClFN3O/c17-14-9-19-4-3-11(14)7-20-8-12-5-10-1-2-13(18)6-15(10)21-16(12)22/h1-6,9,20H,7-8H2,(H,21,22)
InChIKeyCIILHYZUSAJKOJ-UHFFFAOYSA-N
MW317.75 g/mol
LogP3.01
Rot. Bonds4

About 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one

3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one (PubChem CID 166392137) has the molecular formula C16H13ClFN3O and a molecular weight of 317.75 g/mol. Its IUPAC name is 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one
PubChem CID166392137
Molecular FormulaC16H13ClFN3O
Molecular Weight317.75 g/mol
Exact Mass317.07
IUPAC Name3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(F)ccc2cc1CNCc1ccncc1Cl
InChIInChI=1S/C16H13ClFN3O/c17-14-9-19-4-3-11(14)7-20-8-12-5-10-1-2-13(18)6-15(10)21-16(12)22/h1-6,9,20H,7-8H2,(H,21,22)
InChIKeyCIILHYZUSAJKOJ-UHFFFAOYSA-N
XLogP3.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-3-[(2-methoxy-5-pyridin-4-ylanilino)methyl]-1H-quinolin-2-one
CID 167956310
3-[[(7-ethyl-2-oxochromen-4-yl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one
CID 167938320
2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid
CID 118936154
N-[2-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]-N-propan-2-ylmethanesulfonamide
CID 118953951
5-chloro-N-[(3-chloro-4-pyridinyl)methyl]pentan-1-amine
CID 107319957
4-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-N-propan-2-ylpyridine-2-carboxamide
CID 56907270
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 110674030
6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one
CID 122637271
7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one
CID 167866692
N-[(3-chloro-4-pyridinyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905612
[4-[[(3-chloro-4-pyridinyl)methylamino]methyl]phenyl]methanol
CID 107230962
3-[(benzylamino)methyl]-7-chloro-6-methyl-1H-quinolin-2-one
CID 18524471

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one?
The IUPAC name of 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one (CID 166392137) is 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one?
The canonical SMILES for 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one is O=c1[nH]c2cc(F)ccc2cc1CNCc1ccncc1Cl.
What is the InChIKey of 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one?
The InChIKey is CIILHYZUSAJKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O/c17-14-9-19-4-3-11(14)7-20-8-12-5-10-1-2-13(18)6-15(10)21-16(12)22/h1-6,9,20H,7-8H2,(H,21,22).
What are the key properties of 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one?
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one has a molecular weight of 317.75 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 166392137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).